3,4,5-trimethoxy-2-[5-pyridin-2-yl-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde

Systemtic Name: 3,4,5-trimethoxy-2-[5-pyridin-2-yl-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde Openeye Name: 3,4,5-trimethoxy-2-[5-(2-pyridyl)-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde CAS Name: 3,4,5-trimethoxy-2-[5-(2-pyridinyl)-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde IUPAC Name: 3,4,5-trimethoxy-2-[5-pyridin-2-yl-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde Traditional Name: 3,4,5-trimethoxy-2-[5-(2-pyridyl)-2-(1,2,4-triazol-1-yl)phenyl]benzaldehyde Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C=O)C2=C(C=CC(=C2)C3=CC=CC=N3)N4C=NC=N4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C=O)C2=C(C=CC(=C2)C3=CC=CC=N3)N4C=NC=N4)OC)OC

InChI

InChI=1S/C23H20N4O4/c1-29-20-11-16(12-28)21(23(31-3)22(20)30-2)17-10-15(18-6-4-5-9-25-18)7-8-19(17)27-14-24-13-26-27/h4-14H,1-3H3